USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 MET CE :methyl 148:sc= -1.33 (180deg=-3.22!) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.741 X(o=-2.1,f=-2.4!) USER MOD Single : A 3 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.15) USER MOD Single : A 6 LYS NZ :NH3+ -150:sc= -0.0189 (180deg=-0.499) USER MOD Single : A 7 GLN : amide:sc= -0.0544 X(o=-0.054,f=-0.54) USER MOD Single : A 8 LYS NZ :NH3+ -107:sc= 0.449 (180deg=-0.041) USER MOD Single : A 10 CYS SG : rot 180:sc=0.000648 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0631 USER MOD Single : A 14 HIS : no HE2:sc= -0.133 K(o=-0.13,f=-0.87) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.461) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0298 (180deg=-0.459) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.647 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 110:sc= -0.334 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 63 ASN : amide:sc= -1.15! C(o=-1.2!,f=-4.8!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0863 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -6.3! C(o=-6.3!,f=-6.3!) USER MOD Single : A 74 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 62.061 -9.354 8.154 1.00 0.00 N ATOM 18 CA GLU A 2 61.347 -8.838 9.354 1.00 0.00 C ATOM 19 C GLU A 2 62.244 -8.995 10.585 1.00 0.00 C ATOM 20 O GLU A 2 61.840 -9.532 11.597 1.00 0.00 O ATOM 21 CB GLU A 2 60.053 -9.630 9.559 1.00 0.00 C ATOM 22 CG GLU A 2 58.972 -9.097 8.618 1.00 0.00 C ATOM 23 CD GLU A 2 57.764 -8.637 9.436 1.00 0.00 C ATOM 24 OE1 GLU A 2 57.807 -7.533 9.953 1.00 0.00 O ATOM 25 OE2 GLU A 2 56.814 -9.398 9.532 1.00 0.00 O ATOM 0 HA GLU A 2 61.107 -7.784 9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 2 60.228 -10.688 9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 2 59.723 -9.545 10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 2 59.364 -8.267 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 2 58.673 -9.873 7.914 1.00 0.00 H new ATOM 32 N GLN A 3 63.459 -8.525 10.506 1.00 0.00 N ATOM 33 CA GLN A 3 64.383 -8.639 11.666 1.00 0.00 C ATOM 34 C GLN A 3 65.634 -7.801 11.399 1.00 0.00 C ATOM 35 O GLN A 3 66.177 -7.176 12.288 1.00 0.00 O ATOM 36 CB GLN A 3 64.778 -10.104 11.872 1.00 0.00 C ATOM 37 CG GLN A 3 64.937 -10.790 10.514 1.00 0.00 C ATOM 38 CD GLN A 3 66.157 -11.711 10.548 1.00 0.00 C ATOM 39 OE1 GLN A 3 66.089 -12.847 10.126 1.00 0.00 O ATOM 40 NE2 GLN A 3 67.282 -11.265 11.041 1.00 0.00 N ATOM 0 H GLN A 3 63.851 -8.066 9.684 1.00 0.00 H new ATOM 0 HA GLN A 3 63.885 -8.275 12.564 1.00 0.00 H new ATOM 0 HB2 GLN A 3 65.711 -10.164 12.432 1.00 0.00 H new ATOM 0 HB3 GLN A 3 64.018 -10.616 12.462 1.00 0.00 H new ATOM 0 HG2 GLN A 3 64.041 -11.364 10.277 1.00 0.00 H new ATOM 0 HG3 GLN A 3 65.054 -10.043 9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 3 67.340 -10.311 11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 3 68.102 -11.871 11.071 1.00 0.00 H new ATOM 49 N LEU A 4 66.091 -7.775 10.179 1.00 0.00 N ATOM 50 CA LEU A 4 67.301 -6.971 9.852 1.00 0.00 C ATOM 51 C LEU A 4 66.931 -5.487 9.835 1.00 0.00 C ATOM 52 O LEU A 4 67.721 -4.634 10.186 1.00 0.00 O ATOM 53 CB LEU A 4 67.828 -7.376 8.474 1.00 0.00 C ATOM 54 CG LEU A 4 68.318 -8.824 8.517 1.00 0.00 C ATOM 55 CD1 LEU A 4 67.613 -9.632 7.427 1.00 0.00 C ATOM 56 CD2 LEU A 4 69.828 -8.858 8.279 1.00 0.00 C ATOM 0 H LEU A 4 65.678 -8.277 9.393 1.00 0.00 H new ATOM 0 HA LEU A 4 68.071 -7.151 10.603 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.041 -7.270 7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 4 68.642 -6.715 8.176 1.00 0.00 H new ATOM 0 HG LEU A 4 68.094 -9.255 9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 4 67.961 -10.664 7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 4 66.536 -9.607 7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.838 -9.201 6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.178 -9.890 8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 4 70.052 -8.427 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.332 -8.281 9.055 1.00 0.00 H new ATOM 68 N ALA A 5 65.732 -5.174 9.425 1.00 0.00 N ATOM 69 CA ALA A 5 65.301 -3.748 9.379 1.00 0.00 C ATOM 70 C ALA A 5 65.014 -3.253 10.799 1.00 0.00 C ATOM 71 O ALA A 5 65.253 -2.109 11.128 1.00 0.00 O ATOM 72 CB ALA A 5 64.032 -3.631 8.533 1.00 0.00 C ATOM 0 H ALA A 5 65.030 -5.847 9.119 1.00 0.00 H new ATOM 0 HA ALA A 5 66.093 -3.142 8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 5 63.714 -2.589 8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 5 64.235 -3.984 7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 5 63.242 -4.237 8.977 1.00 0.00 H new ATOM 78 N LYS A 6 64.498 -4.106 11.641 1.00 0.00 N ATOM 79 CA LYS A 6 64.191 -3.684 13.037 1.00 0.00 C ATOM 80 C LYS A 6 65.483 -3.262 13.744 1.00 0.00 C ATOM 81 O LYS A 6 65.579 -2.183 14.292 1.00 0.00 O ATOM 82 CB LYS A 6 63.555 -4.854 13.793 1.00 0.00 C ATOM 83 CG LYS A 6 63.354 -4.468 15.261 1.00 0.00 C ATOM 84 CD LYS A 6 61.872 -4.592 15.624 1.00 0.00 C ATOM 85 CE LYS A 6 61.686 -5.733 16.627 1.00 0.00 C ATOM 86 NZ LYS A 6 62.212 -6.999 16.041 1.00 0.00 N ATOM 0 H LYS A 6 64.276 -5.077 11.422 1.00 0.00 H new ATOM 0 HA LYS A 6 63.499 -2.842 13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 6 62.598 -5.115 13.341 1.00 0.00 H new ATOM 0 HB3 LYS A 6 64.192 -5.735 13.722 1.00 0.00 H new ATOM 0 HG2 LYS A 6 63.952 -5.115 15.903 1.00 0.00 H new ATOM 0 HG3 LYS A 6 63.696 -3.447 15.430 1.00 0.00 H new ATOM 0 HD2 LYS A 6 61.512 -3.656 16.051 1.00 0.00 H new ATOM 0 HD3 LYS A 6 61.282 -4.782 14.728 1.00 0.00 H new ATOM 0 HE2 LYS A 6 62.209 -5.504 17.556 1.00 0.00 H new ATOM 0 HE3 LYS A 6 60.631 -5.845 16.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 61.678 -7.806 16.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 62.108 -6.972 15.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 63.218 -7.103 16.285 1.00 0.00 H new ATOM 100 N GLN A 7 66.475 -4.110 13.739 1.00 0.00 N ATOM 101 CA GLN A 7 67.759 -3.763 14.416 1.00 0.00 C ATOM 102 C GLN A 7 68.281 -2.424 13.891 1.00 0.00 C ATOM 103 O GLN A 7 68.138 -1.399 14.528 1.00 0.00 O ATOM 104 CB GLN A 7 68.791 -4.857 14.138 1.00 0.00 C ATOM 105 CG GLN A 7 69.202 -5.514 15.458 1.00 0.00 C ATOM 106 CD GLN A 7 70.040 -4.530 16.277 1.00 0.00 C ATOM 107 OE1 GLN A 7 70.938 -3.899 15.756 1.00 0.00 O ATOM 108 NE2 GLN A 7 69.783 -4.371 17.546 1.00 0.00 N ATOM 0 H GLN A 7 66.453 -5.028 13.296 1.00 0.00 H new ATOM 0 HA GLN A 7 67.588 -3.683 15.490 1.00 0.00 H new ATOM 0 HB2 GLN A 7 68.373 -5.603 13.462 1.00 0.00 H new ATOM 0 HB3 GLN A 7 69.664 -4.432 13.643 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.317 -5.810 16.020 1.00 0.00 H new ATOM 0 HG3 GLN A 7 69.774 -6.421 15.263 1.00 0.00 H new ATOM 0 HE21 GLN A 7 69.029 -4.900 17.984 1.00 0.00 H new ATOM 0 HE22 GLN A 7 70.336 -3.717 18.100 1.00 0.00 H new ATOM 117 N LYS A 8 68.893 -2.431 12.740 1.00 0.00 N ATOM 118 CA LYS A 8 69.439 -1.165 12.168 1.00 0.00 C ATOM 119 C LYS A 8 68.444 -0.025 12.393 1.00 0.00 C ATOM 120 O LYS A 8 68.747 0.954 13.047 1.00 0.00 O ATOM 121 CB LYS A 8 69.681 -1.348 10.668 1.00 0.00 C ATOM 122 CG LYS A 8 71.169 -1.601 10.421 1.00 0.00 C ATOM 123 CD LYS A 8 71.393 -3.086 10.130 1.00 0.00 C ATOM 124 CE LYS A 8 72.733 -3.525 10.724 1.00 0.00 C ATOM 125 NZ LYS A 8 73.292 -4.647 9.918 1.00 0.00 N ATOM 0 H LYS A 8 69.040 -3.262 12.167 1.00 0.00 H new ATOM 0 HA LYS A 8 70.380 -0.921 12.661 1.00 0.00 H new ATOM 0 HB2 LYS A 8 69.091 -2.184 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 8 69.357 -0.460 10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 8 71.517 -0.999 9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 8 71.750 -1.299 11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 8 70.583 -3.677 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 8 71.385 -3.262 9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 8 73.430 -2.687 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 8 72.598 -3.839 11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 73.205 -5.535 10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 72.767 -4.728 9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 74.295 -4.462 9.714 1.00 0.00 H new ATOM 139 N GLY A 9 67.259 -0.139 11.860 1.00 0.00 N ATOM 140 CA GLY A 9 66.251 0.942 12.053 1.00 0.00 C ATOM 141 C GLY A 9 65.759 1.442 10.694 1.00 0.00 C ATOM 142 O GLY A 9 65.457 2.607 10.525 1.00 0.00 O ATOM 0 H GLY A 9 66.945 -0.932 11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.411 0.568 12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 9 66.691 1.765 12.616 1.00 0.00 H new ATOM 146 N CYS A 10 65.670 0.573 9.725 1.00 0.00 N ATOM 147 CA CYS A 10 65.192 1.007 8.382 1.00 0.00 C ATOM 148 C CYS A 10 63.680 1.241 8.432 1.00 0.00 C ATOM 149 O CYS A 10 63.148 2.081 7.735 1.00 0.00 O ATOM 150 CB CYS A 10 65.501 -0.078 7.349 1.00 0.00 C ATOM 151 SG CYS A 10 67.265 -0.480 7.395 1.00 0.00 S ATOM 0 H CYS A 10 65.907 -0.416 9.805 1.00 0.00 H new ATOM 0 HA CYS A 10 65.698 1.930 8.100 1.00 0.00 H new ATOM 0 HB2 CYS A 10 64.909 -0.970 7.556 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.222 0.265 6.353 1.00 0.00 H new ATOM 0 HG CYS A 10 67.523 -1.404 6.517 1.00 0.00 H new ATOM 156 N MET A 11 62.984 0.502 9.254 1.00 0.00 N ATOM 157 CA MET A 11 61.507 0.679 9.349 1.00 0.00 C ATOM 158 C MET A 11 61.187 1.986 10.079 1.00 0.00 C ATOM 159 O MET A 11 60.039 2.350 10.240 1.00 0.00 O ATOM 160 CB MET A 11 60.901 -0.493 10.122 1.00 0.00 C ATOM 161 CG MET A 11 60.607 -1.643 9.157 1.00 0.00 C ATOM 162 SD MET A 11 58.868 -2.126 9.302 1.00 0.00 S ATOM 163 CE MET A 11 58.714 -2.907 7.676 1.00 0.00 C ATOM 0 H MET A 11 63.375 -0.216 9.864 1.00 0.00 H new ATOM 0 HA MET A 11 61.085 0.713 8.344 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.589 -0.824 10.900 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.984 -0.179 10.620 1.00 0.00 H new ATOM 0 HG2 MET A 11 60.826 -1.338 8.134 1.00 0.00 H new ATOM 0 HG3 MET A 11 61.251 -2.493 9.381 1.00 0.00 H new ATOM 0 HE1 MET A 11 57.699 -3.284 7.548 1.00 0.00 H new ATOM 0 HE2 MET A 11 58.929 -2.174 6.898 1.00 0.00 H new ATOM 0 HE3 MET A 11 59.421 -3.733 7.601 1.00 0.00 H new ATOM 173 N ALA A 12 62.188 2.693 10.524 1.00 0.00 N ATOM 174 CA ALA A 12 61.930 3.972 11.241 1.00 0.00 C ATOM 175 C ALA A 12 61.227 4.950 10.297 1.00 0.00 C ATOM 176 O ALA A 12 60.402 5.742 10.707 1.00 0.00 O ATOM 177 CB ALA A 12 63.256 4.575 11.710 1.00 0.00 C ATOM 0 H ALA A 12 63.171 2.441 10.422 1.00 0.00 H new ATOM 0 HA ALA A 12 61.296 3.782 12.107 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.065 5.511 12.235 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.755 3.878 12.383 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.894 4.766 10.847 1.00 0.00 H new ATOM 183 N CYS A 13 61.549 4.900 9.033 1.00 0.00 N ATOM 184 CA CYS A 13 60.901 5.825 8.061 1.00 0.00 C ATOM 185 C CYS A 13 60.300 5.019 6.908 1.00 0.00 C ATOM 186 O CYS A 13 59.798 5.572 5.951 1.00 0.00 O ATOM 187 CB CYS A 13 61.948 6.793 7.506 1.00 0.00 C ATOM 188 SG CYS A 13 62.997 7.392 8.853 1.00 0.00 S ATOM 0 H CYS A 13 62.233 4.258 8.632 1.00 0.00 H new ATOM 0 HA CYS A 13 60.113 6.384 8.565 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.557 6.293 6.753 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.457 7.632 7.013 1.00 0.00 H new ATOM 0 HG CYS A 13 63.887 8.212 8.378 1.00 0.00 H new ATOM 193 N HIS A 14 60.349 3.718 6.983 1.00 0.00 N ATOM 194 CA HIS A 14 59.780 2.894 5.880 1.00 0.00 C ATOM 195 C HIS A 14 58.551 2.136 6.382 1.00 0.00 C ATOM 196 O HIS A 14 58.115 2.308 7.503 1.00 0.00 O ATOM 197 CB HIS A 14 60.831 1.894 5.392 1.00 0.00 C ATOM 198 CG HIS A 14 61.645 2.521 4.294 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.270 2.447 2.961 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.817 3.237 4.315 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.200 3.100 2.242 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.165 3.601 3.018 1.00 0.00 N ATOM 0 H HIS A 14 60.756 3.192 7.756 1.00 0.00 H new ATOM 0 HA HIS A 14 59.490 3.548 5.058 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.479 1.599 6.217 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.346 0.988 5.028 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.440 1.982 2.593 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.382 3.480 5.203 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.170 3.206 1.168 1.00 0.00 H new ATOM 210 N ASP A 15 57.991 1.299 5.554 1.00 0.00 N ATOM 211 CA ASP A 15 56.788 0.527 5.971 1.00 0.00 C ATOM 212 C ASP A 15 56.150 -0.109 4.735 1.00 0.00 C ATOM 213 O ASP A 15 56.021 0.515 3.701 1.00 0.00 O ATOM 214 CB ASP A 15 55.786 1.467 6.642 1.00 0.00 C ATOM 215 CG ASP A 15 55.825 1.253 8.156 1.00 0.00 C ATOM 216 OD1 ASP A 15 56.728 0.573 8.616 1.00 0.00 O ATOM 217 OD2 ASP A 15 54.951 1.774 8.831 1.00 0.00 O ATOM 0 H ASP A 15 58.315 1.116 4.604 1.00 0.00 H new ATOM 0 HA ASP A 15 57.075 -0.253 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 15 56.026 2.503 6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 15 54.782 1.277 6.262 1.00 0.00 H new ATOM 222 N LEU A 16 55.757 -1.350 4.827 1.00 0.00 N ATOM 223 CA LEU A 16 55.138 -2.022 3.650 1.00 0.00 C ATOM 224 C LEU A 16 53.921 -1.229 3.180 1.00 0.00 C ATOM 225 O LEU A 16 53.758 -0.963 2.006 1.00 0.00 O ATOM 226 CB LEU A 16 54.686 -3.429 4.037 1.00 0.00 C ATOM 227 CG LEU A 16 55.857 -4.213 4.639 1.00 0.00 C ATOM 228 CD1 LEU A 16 55.533 -5.707 4.614 1.00 0.00 C ATOM 229 CD2 LEU A 16 57.127 -3.958 3.821 1.00 0.00 C ATOM 0 H LEU A 16 55.838 -1.926 5.665 1.00 0.00 H new ATOM 0 HA LEU A 16 55.876 -2.076 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 16 53.869 -3.372 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.302 -3.950 3.160 1.00 0.00 H new ATOM 0 HG LEU A 16 56.017 -3.887 5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.365 -6.267 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 16 54.632 -5.894 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.371 -6.027 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 16 57.957 -4.518 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 56.968 -4.281 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.361 -2.894 3.835 1.00 0.00 H new ATOM 241 N LYS A 17 53.057 -0.861 4.083 1.00 0.00 N ATOM 242 CA LYS A 17 51.846 -0.100 3.679 1.00 0.00 C ATOM 243 C LYS A 17 51.684 1.133 4.571 1.00 0.00 C ATOM 244 O LYS A 17 50.607 1.425 5.049 1.00 0.00 O ATOM 245 CB LYS A 17 50.611 -0.993 3.822 1.00 0.00 C ATOM 246 CG LYS A 17 49.403 -0.298 3.190 1.00 0.00 C ATOM 247 CD LYS A 17 48.238 -1.286 3.090 1.00 0.00 C ATOM 248 CE LYS A 17 47.333 -0.890 1.921 1.00 0.00 C ATOM 249 NZ LYS A 17 47.016 0.563 2.011 1.00 0.00 N ATOM 0 H LYS A 17 53.138 -1.054 5.081 1.00 0.00 H new ATOM 0 HA LYS A 17 51.953 0.217 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 17 50.786 -1.954 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.417 -1.197 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 17 49.112 0.564 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 17 49.662 0.076 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 17 48.617 -2.298 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 17 47.669 -1.289 4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 17 47.827 -1.108 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 17 46.414 -1.476 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 46.183 0.774 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 46.816 0.814 3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 47.828 1.117 1.671 1.00 0.00 H new ATOM 263 N ALA A 18 52.742 1.862 4.797 1.00 0.00 N ATOM 264 CA ALA A 18 52.635 3.074 5.658 1.00 0.00 C ATOM 265 C ALA A 18 53.589 4.153 5.147 1.00 0.00 C ATOM 266 O ALA A 18 54.567 4.487 5.786 1.00 0.00 O ATOM 267 CB ALA A 18 53.002 2.713 7.097 1.00 0.00 C ATOM 0 H ALA A 18 53.672 1.672 4.425 1.00 0.00 H new ATOM 0 HA ALA A 18 51.612 3.449 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.924 3.600 7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 18 52.321 1.946 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 18 54.024 2.335 7.128 1.00 0.00 H new ATOM 273 N LYS A 19 53.312 4.701 3.999 1.00 0.00 N ATOM 274 CA LYS A 19 54.199 5.760 3.443 1.00 0.00 C ATOM 275 C LYS A 19 54.222 6.957 4.394 1.00 0.00 C ATOM 276 O LYS A 19 53.337 7.790 4.380 1.00 0.00 O ATOM 277 CB LYS A 19 53.675 6.207 2.076 1.00 0.00 C ATOM 278 CG LYS A 19 54.729 7.075 1.386 1.00 0.00 C ATOM 279 CD LYS A 19 54.353 8.551 1.533 1.00 0.00 C ATOM 280 CE LYS A 19 55.532 9.426 1.104 1.00 0.00 C ATOM 281 NZ LYS A 19 55.322 10.817 1.594 1.00 0.00 N ATOM 0 H LYS A 19 52.508 4.461 3.419 1.00 0.00 H new ATOM 0 HA LYS A 19 55.208 5.362 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 19 53.445 5.337 1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 19 52.748 6.768 2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.710 6.893 1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 19 54.799 6.810 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 19 53.479 8.777 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 19 54.084 8.767 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 19 56.462 9.024 1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 19 55.626 9.422 0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 56.123 11.412 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 54.443 11.198 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 55.253 10.813 2.632 1.00 0.00 H new ATOM 295 N LYS A 20 55.227 7.052 5.220 1.00 0.00 N ATOM 296 CA LYS A 20 55.303 8.198 6.168 1.00 0.00 C ATOM 297 C LYS A 20 56.431 9.141 5.733 1.00 0.00 C ATOM 298 O LYS A 20 56.255 9.963 4.856 1.00 0.00 O ATOM 299 CB LYS A 20 55.571 7.674 7.580 1.00 0.00 C ATOM 300 CG LYS A 20 55.706 8.849 8.549 1.00 0.00 C ATOM 301 CD LYS A 20 54.975 8.521 9.852 1.00 0.00 C ATOM 302 CE LYS A 20 55.290 9.592 10.898 1.00 0.00 C ATOM 303 NZ LYS A 20 54.896 10.929 10.372 1.00 0.00 N ATOM 0 H LYS A 20 55.998 6.387 5.279 1.00 0.00 H new ATOM 0 HA LYS A 20 54.359 8.743 6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 20 54.758 7.021 7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 20 56.482 7.076 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 20 56.758 9.049 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 20 55.289 9.752 8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 20 53.900 8.474 9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 20 55.282 7.541 10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 20 54.754 9.381 11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 20 56.354 9.582 11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 54.851 11.611 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 55.598 11.249 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 53.963 10.862 9.918 1.00 0.00 H new ATOM 317 N VAL A 21 57.589 9.027 6.327 1.00 0.00 N ATOM 318 CA VAL A 21 58.717 9.916 5.928 1.00 0.00 C ATOM 319 C VAL A 21 59.333 9.387 4.632 1.00 0.00 C ATOM 320 O VAL A 21 59.476 10.103 3.660 1.00 0.00 O ATOM 321 CB VAL A 21 59.776 9.930 7.035 1.00 0.00 C ATOM 322 CG1 VAL A 21 61.072 10.544 6.499 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.270 10.764 8.213 1.00 0.00 C ATOM 0 H VAL A 21 57.802 8.359 7.068 1.00 0.00 H new ATOM 0 HA VAL A 21 58.350 10.931 5.773 1.00 0.00 H new ATOM 0 HB VAL A 21 59.967 8.909 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.824 10.553 7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.435 9.952 5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.881 11.565 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.023 10.775 9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 21 59.078 11.784 7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.348 10.328 8.598 1.00 0.00 H new ATOM 333 N GLY A 22 59.692 8.133 4.611 1.00 0.00 N ATOM 334 CA GLY A 22 60.292 7.547 3.380 1.00 0.00 C ATOM 335 C GLY A 22 59.194 6.858 2.563 1.00 0.00 C ATOM 336 O GLY A 22 58.050 6.828 2.970 1.00 0.00 O ATOM 0 H GLY A 22 59.595 7.488 5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 22 60.768 8.327 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.069 6.830 3.646 1.00 0.00 H new ATOM 340 N PRO A 23 59.578 6.326 1.433 1.00 0.00 N ATOM 341 CA PRO A 23 58.648 5.627 0.528 1.00 0.00 C ATOM 342 C PRO A 23 58.371 4.210 1.039 1.00 0.00 C ATOM 343 O PRO A 23 59.275 3.418 1.218 1.00 0.00 O ATOM 344 CB PRO A 23 59.406 5.588 -0.801 1.00 0.00 C ATOM 345 CG PRO A 23 60.907 5.739 -0.453 1.00 0.00 C ATOM 346 CD PRO A 23 60.972 6.373 0.949 1.00 0.00 C ATOM 0 HA PRO A 23 57.677 6.116 0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 23 59.221 4.651 -1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 23 59.077 6.392 -1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.407 4.770 -0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 23 61.413 6.367 -1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.641 5.818 1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 23 61.344 7.397 0.906 1.00 0.00 H new ATOM 354 N ALA A 24 57.128 3.880 1.273 1.00 0.00 N ATOM 355 CA ALA A 24 56.805 2.513 1.770 1.00 0.00 C ATOM 356 C ALA A 24 57.568 1.478 0.940 1.00 0.00 C ATOM 357 O ALA A 24 57.670 1.587 -0.266 1.00 0.00 O ATOM 358 CB ALA A 24 55.298 2.263 1.646 1.00 0.00 C ATOM 0 H ALA A 24 56.326 4.496 1.142 1.00 0.00 H new ATOM 0 HA ALA A 24 57.098 2.428 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.064 1.263 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 24 54.757 3.001 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.000 2.348 0.601 1.00 0.00 H new ATOM 364 N TYR A 25 58.111 0.477 1.578 1.00 0.00 N ATOM 365 CA TYR A 25 58.873 -0.562 0.837 1.00 0.00 C ATOM 366 C TYR A 25 58.088 -1.006 -0.400 1.00 0.00 C ATOM 367 O TYR A 25 58.649 -1.235 -1.453 1.00 0.00 O ATOM 368 CB TYR A 25 59.093 -1.765 1.755 1.00 0.00 C ATOM 369 CG TYR A 25 60.232 -1.482 2.707 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.483 -1.099 2.212 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.034 -1.610 4.088 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.539 -0.844 3.098 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.088 -1.353 4.972 1.00 0.00 C ATOM 374 CZ TYR A 25 62.340 -0.971 4.478 1.00 0.00 C ATOM 375 OH TYR A 25 63.379 -0.720 5.351 1.00 0.00 O ATOM 0 H TYR A 25 58.058 0.336 2.587 1.00 0.00 H new ATOM 0 HA TYR A 25 59.832 -0.151 0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.183 -1.977 2.316 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.315 -2.651 1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.635 -1.000 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 25 59.068 -1.907 4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.505 -0.550 2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 25 60.935 -1.450 6.037 1.00 0.00 H new ATOM 0 HH TYR A 25 63.072 -0.853 6.272 1.00 0.00 H new ATOM 385 N ALA A 26 56.795 -1.139 -0.281 1.00 0.00 N ATOM 386 CA ALA A 26 55.978 -1.578 -1.448 1.00 0.00 C ATOM 387 C ALA A 26 56.088 -0.552 -2.578 1.00 0.00 C ATOM 388 O ALA A 26 56.365 -0.892 -3.711 1.00 0.00 O ATOM 389 CB ALA A 26 54.513 -1.711 -1.026 1.00 0.00 C ATOM 0 H ALA A 26 56.269 -0.962 0.575 1.00 0.00 H new ATOM 0 HA ALA A 26 56.348 -2.541 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.916 -2.032 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.430 -2.448 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.148 -0.748 -0.670 1.00 0.00 H new ATOM 395 N ASP A 27 55.864 0.698 -2.283 1.00 0.00 N ATOM 396 CA ASP A 27 55.945 1.741 -3.342 1.00 0.00 C ATOM 397 C ASP A 27 57.349 1.759 -3.956 1.00 0.00 C ATOM 398 O ASP A 27 57.529 2.128 -5.099 1.00 0.00 O ATOM 399 CB ASP A 27 55.642 3.106 -2.726 1.00 0.00 C ATOM 400 CG ASP A 27 54.133 3.361 -2.763 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.417 2.483 -3.216 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.721 4.428 -2.339 1.00 0.00 O ATOM 0 H ASP A 27 55.628 1.042 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 27 55.219 1.517 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.002 3.140 -1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.167 3.888 -3.274 1.00 0.00 H new ATOM 407 N VAL A 28 58.344 1.367 -3.210 1.00 0.00 N ATOM 408 CA VAL A 28 59.728 1.370 -3.755 1.00 0.00 C ATOM 409 C VAL A 28 59.843 0.333 -4.872 1.00 0.00 C ATOM 410 O VAL A 28 60.182 0.648 -5.995 1.00 0.00 O ATOM 411 CB VAL A 28 60.715 1.026 -2.638 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.119 0.868 -3.224 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.722 2.151 -1.599 1.00 0.00 C ATOM 0 H VAL A 28 58.257 1.045 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 28 59.957 2.358 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 28 60.413 0.092 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.821 0.623 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.117 0.068 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.422 1.801 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.425 1.907 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.023 3.084 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.723 2.264 -1.179 1.00 0.00 H new ATOM 423 N ALA A 29 59.567 -0.904 -4.569 1.00 0.00 N ATOM 424 CA ALA A 29 59.664 -1.968 -5.605 1.00 0.00 C ATOM 425 C ALA A 29 58.735 -1.638 -6.775 1.00 0.00 C ATOM 426 O ALA A 29 58.992 -2.000 -7.906 1.00 0.00 O ATOM 427 CB ALA A 29 59.257 -3.310 -4.994 1.00 0.00 C ATOM 0 H ALA A 29 59.277 -1.225 -3.645 1.00 0.00 H new ATOM 0 HA ALA A 29 60.691 -2.026 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 29 59.327 -4.091 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.922 -3.549 -4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 29 58.231 -3.248 -4.631 1.00 0.00 H new ATOM 433 N LYS A 30 57.653 -0.956 -6.514 1.00 0.00 N ATOM 434 CA LYS A 30 56.710 -0.611 -7.613 1.00 0.00 C ATOM 435 C LYS A 30 57.373 0.386 -8.566 1.00 0.00 C ATOM 436 O LYS A 30 57.201 0.318 -9.767 1.00 0.00 O ATOM 437 CB LYS A 30 55.441 0.009 -7.024 1.00 0.00 C ATOM 438 CG LYS A 30 54.299 -1.006 -7.099 1.00 0.00 C ATOM 439 CD LYS A 30 52.993 -0.284 -7.437 1.00 0.00 C ATOM 440 CE LYS A 30 51.818 -1.249 -7.275 1.00 0.00 C ATOM 441 NZ LYS A 30 50.789 -0.635 -6.389 1.00 0.00 N ATOM 0 H LYS A 30 57.382 -0.624 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 30 56.450 -1.516 -8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.613 0.304 -5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.176 0.913 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 30 54.517 -1.759 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 30 54.201 -1.530 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 30 52.862 0.578 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 30 53.028 0.094 -8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 30 51.385 -1.478 -8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 30 52.164 -2.191 -6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 49.990 -1.291 -6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 51.206 -0.438 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 50.452 0.253 -6.812 1.00 0.00 H new ATOM 455 N LYS A 31 58.131 1.313 -8.045 1.00 0.00 N ATOM 456 CA LYS A 31 58.799 2.306 -8.928 1.00 0.00 C ATOM 457 C LYS A 31 59.879 1.607 -9.758 1.00 0.00 C ATOM 458 O LYS A 31 60.353 2.131 -10.746 1.00 0.00 O ATOM 459 CB LYS A 31 59.435 3.405 -8.074 1.00 0.00 C ATOM 460 CG LYS A 31 58.366 4.430 -7.687 1.00 0.00 C ATOM 461 CD LYS A 31 58.766 5.810 -8.213 1.00 0.00 C ATOM 462 CE LYS A 31 58.806 5.785 -9.742 1.00 0.00 C ATOM 463 NZ LYS A 31 60.110 6.334 -10.214 1.00 0.00 N ATOM 0 H LYS A 31 58.315 1.424 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 31 58.062 2.751 -9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 31 59.881 2.973 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 31 60.238 3.892 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 31 57.401 4.138 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 31 58.253 4.461 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 31 58.055 6.561 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 31 59.742 6.092 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 31 58.677 4.765 -10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 31 57.983 6.374 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 60.138 6.317 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 60.215 7.313 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 60.887 5.755 -9.838 1.00 0.00 H new ATOM 477 N TYR A 32 60.270 0.424 -9.365 1.00 0.00 N ATOM 478 CA TYR A 32 61.317 -0.310 -10.132 1.00 0.00 C ATOM 479 C TYR A 32 60.764 -1.678 -10.553 1.00 0.00 C ATOM 480 O TYR A 32 59.597 -1.809 -10.865 1.00 0.00 O ATOM 481 CB TYR A 32 62.555 -0.497 -9.249 1.00 0.00 C ATOM 482 CG TYR A 32 63.088 0.852 -8.835 1.00 0.00 C ATOM 483 CD1 TYR A 32 62.348 1.664 -7.966 1.00 0.00 C ATOM 484 CD2 TYR A 32 64.325 1.292 -9.320 1.00 0.00 C ATOM 485 CE1 TYR A 32 62.846 2.915 -7.582 1.00 0.00 C ATOM 486 CE2 TYR A 32 64.823 2.543 -8.937 1.00 0.00 C ATOM 487 CZ TYR A 32 64.084 3.354 -8.068 1.00 0.00 C ATOM 488 OH TYR A 32 64.575 4.588 -7.690 1.00 0.00 O ATOM 0 H TYR A 32 59.909 -0.065 -8.546 1.00 0.00 H new ATOM 0 HA TYR A 32 61.594 0.257 -11.020 1.00 0.00 H new ATOM 0 HB2 TYR A 32 62.300 -1.085 -8.367 1.00 0.00 H new ATOM 0 HB3 TYR A 32 63.321 -1.051 -9.791 1.00 0.00 H new ATOM 0 HD1 TYR A 32 61.393 1.325 -7.592 1.00 0.00 H new ATOM 0 HD2 TYR A 32 64.896 0.666 -9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 32 62.276 3.541 -6.912 1.00 0.00 H new ATOM 0 HE2 TYR A 32 65.777 2.882 -9.312 1.00 0.00 H new ATOM 0 HH TYR A 32 65.445 4.738 -8.115 1.00 0.00 H new ATOM 498 N ALA A 33 61.589 -2.694 -10.572 1.00 0.00 N ATOM 499 CA ALA A 33 61.108 -4.045 -10.976 1.00 0.00 C ATOM 500 C ALA A 33 61.014 -4.116 -12.497 1.00 0.00 C ATOM 501 O ALA A 33 60.148 -3.523 -13.107 1.00 0.00 O ATOM 502 CB ALA A 33 59.731 -4.311 -10.367 1.00 0.00 C ATOM 0 H ALA A 33 62.577 -2.643 -10.324 1.00 0.00 H new ATOM 0 HA ALA A 33 61.809 -4.798 -10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.386 -5.300 -10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 33 59.799 -4.264 -9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 33 59.026 -3.558 -10.720 1.00 0.00 H new ATOM 508 N GLY A 34 61.911 -4.830 -13.113 1.00 0.00 N ATOM 509 CA GLY A 34 61.891 -4.934 -14.596 1.00 0.00 C ATOM 510 C GLY A 34 62.907 -3.952 -15.173 1.00 0.00 C ATOM 511 O GLY A 34 63.256 -4.011 -16.335 1.00 0.00 O ATOM 0 H GLY A 34 62.659 -5.348 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 34 62.131 -5.951 -14.906 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.894 -4.712 -14.976 1.00 0.00 H new ATOM 515 N ARG A 35 63.386 -3.046 -14.363 1.00 0.00 N ATOM 516 CA ARG A 35 64.385 -2.058 -14.861 1.00 0.00 C ATOM 517 C ARG A 35 65.635 -2.799 -15.341 1.00 0.00 C ATOM 518 O ARG A 35 65.612 -3.994 -15.562 1.00 0.00 O ATOM 519 CB ARG A 35 64.762 -1.099 -13.729 1.00 0.00 C ATOM 520 CG ARG A 35 64.551 0.344 -14.191 1.00 0.00 C ATOM 521 CD ARG A 35 65.319 1.293 -13.269 1.00 0.00 C ATOM 522 NE ARG A 35 66.647 1.598 -13.870 1.00 0.00 N ATOM 523 CZ ARG A 35 67.593 2.125 -13.139 1.00 0.00 C ATOM 524 NH1 ARG A 35 67.379 2.392 -11.878 1.00 0.00 N ATOM 525 NH2 ARG A 35 68.755 2.386 -13.671 1.00 0.00 N ATOM 0 H ARG A 35 63.129 -2.948 -13.381 1.00 0.00 H new ATOM 0 HA ARG A 35 63.957 -1.491 -15.688 1.00 0.00 H new ATOM 0 HB2 ARG A 35 64.154 -1.303 -12.848 1.00 0.00 H new ATOM 0 HB3 ARG A 35 65.802 -1.251 -13.440 1.00 0.00 H new ATOM 0 HG2 ARG A 35 64.894 0.462 -15.219 1.00 0.00 H new ATOM 0 HG3 ARG A 35 63.489 0.589 -14.179 1.00 0.00 H new ATOM 0 HD2 ARG A 35 64.753 2.213 -13.123 1.00 0.00 H new ATOM 0 HD3 ARG A 35 65.448 0.839 -12.287 1.00 0.00 H new ATOM 0 HE ARG A 35 66.818 1.395 -14.855 1.00 0.00 H new ATOM 0 HH11 ARG A 35 66.471 2.189 -11.461 1.00 0.00 H new ATOM 0 HH12 ARG A 35 68.120 2.803 -11.311 1.00 0.00 H new ATOM 0 HH21 ARG A 35 68.923 2.179 -14.655 1.00 0.00 H new ATOM 0 HH22 ARG A 35 69.495 2.797 -13.103 1.00 0.00 H new ATOM 539 N LYS A 36 66.726 -2.104 -15.503 1.00 0.00 N ATOM 540 CA LYS A 36 67.974 -2.776 -15.964 1.00 0.00 C ATOM 541 C LYS A 36 68.608 -3.518 -14.787 1.00 0.00 C ATOM 542 O LYS A 36 69.268 -4.525 -14.955 1.00 0.00 O ATOM 543 CB LYS A 36 68.955 -1.730 -16.498 1.00 0.00 C ATOM 544 CG LYS A 36 69.677 -2.287 -17.727 1.00 0.00 C ATOM 545 CD LYS A 36 70.981 -1.517 -17.947 1.00 0.00 C ATOM 546 CE LYS A 36 70.696 -0.014 -17.932 1.00 0.00 C ATOM 547 NZ LYS A 36 71.984 0.736 -17.885 1.00 0.00 N ATOM 0 H LYS A 36 66.808 -1.101 -15.337 1.00 0.00 H new ATOM 0 HA LYS A 36 67.736 -3.483 -16.759 1.00 0.00 H new ATOM 0 HB2 LYS A 36 68.422 -0.816 -16.760 1.00 0.00 H new ATOM 0 HB3 LYS A 36 69.678 -1.467 -15.726 1.00 0.00 H new ATOM 0 HG2 LYS A 36 69.888 -3.347 -17.588 1.00 0.00 H new ATOM 0 HG3 LYS A 36 69.039 -2.201 -18.607 1.00 0.00 H new ATOM 0 HD2 LYS A 36 71.700 -1.769 -17.168 1.00 0.00 H new ATOM 0 HD3 LYS A 36 71.429 -1.803 -18.899 1.00 0.00 H new ATOM 0 HE2 LYS A 36 70.131 0.269 -18.820 1.00 0.00 H new ATOM 0 HE3 LYS A 36 70.082 0.242 -17.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 71.791 1.758 -17.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 72.507 0.474 -17.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 72.554 0.500 -18.722 1.00 0.00 H new ATOM 561 N ASP A 37 68.411 -3.028 -13.594 1.00 0.00 N ATOM 562 CA ASP A 37 68.998 -3.702 -12.404 1.00 0.00 C ATOM 563 C ASP A 37 68.641 -2.908 -11.146 1.00 0.00 C ATOM 564 O ASP A 37 69.482 -2.273 -10.541 1.00 0.00 O ATOM 565 CB ASP A 37 70.519 -3.767 -12.550 1.00 0.00 C ATOM 566 CG ASP A 37 71.033 -5.075 -11.945 1.00 0.00 C ATOM 567 OD1 ASP A 37 70.279 -5.707 -11.224 1.00 0.00 O ATOM 568 OD2 ASP A 37 72.170 -5.423 -12.213 1.00 0.00 O ATOM 0 H ASP A 37 67.868 -2.188 -13.393 1.00 0.00 H new ATOM 0 HA ASP A 37 68.599 -4.713 -12.325 1.00 0.00 H new ATOM 0 HB2 ASP A 37 70.797 -3.706 -13.602 1.00 0.00 H new ATOM 0 HB3 ASP A 37 70.980 -2.916 -12.049 1.00 0.00 H new ATOM 573 N ALA A 38 67.398 -2.937 -10.749 1.00 0.00 N ATOM 574 CA ALA A 38 66.985 -2.184 -9.532 1.00 0.00 C ATOM 575 C ALA A 38 67.690 -2.764 -8.304 1.00 0.00 C ATOM 576 O ALA A 38 67.676 -2.183 -7.237 1.00 0.00 O ATOM 577 CB ALA A 38 65.469 -2.304 -9.354 1.00 0.00 C ATOM 0 H ALA A 38 66.650 -3.450 -11.216 1.00 0.00 H new ATOM 0 HA ALA A 38 67.260 -1.135 -9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.162 -1.754 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 38 64.966 -1.890 -10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.198 -3.354 -9.243 1.00 0.00 H new ATOM 583 N VAL A 39 68.305 -3.906 -8.444 1.00 0.00 N ATOM 584 CA VAL A 39 69.010 -4.522 -7.284 1.00 0.00 C ATOM 585 C VAL A 39 70.359 -3.832 -7.081 1.00 0.00 C ATOM 586 O VAL A 39 70.587 -3.173 -6.085 1.00 0.00 O ATOM 587 CB VAL A 39 69.233 -6.012 -7.557 1.00 0.00 C ATOM 588 CG1 VAL A 39 69.897 -6.663 -6.343 1.00 0.00 C ATOM 589 CG2 VAL A 39 67.886 -6.687 -7.823 1.00 0.00 C ATOM 0 H VAL A 39 68.350 -4.440 -9.312 1.00 0.00 H new ATOM 0 HA VAL A 39 68.404 -4.404 -6.385 1.00 0.00 H new ATOM 0 HB VAL A 39 69.878 -6.128 -8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.055 -7.723 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 39 70.857 -6.183 -6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 39 69.254 -6.547 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 39 68.043 -7.748 -8.018 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.242 -6.569 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 39 67.412 -6.225 -8.689 1.00 0.00 H new ATOM 599 N ASP A 40 71.257 -3.974 -8.017 1.00 0.00 N ATOM 600 CA ASP A 40 72.589 -3.323 -7.877 1.00 0.00 C ATOM 601 C ASP A 40 72.398 -1.818 -7.689 1.00 0.00 C ATOM 602 O ASP A 40 73.084 -1.188 -6.909 1.00 0.00 O ATOM 603 CB ASP A 40 73.415 -3.579 -9.139 1.00 0.00 C ATOM 604 CG ASP A 40 73.828 -5.052 -9.189 1.00 0.00 C ATOM 605 OD1 ASP A 40 72.951 -5.888 -9.329 1.00 0.00 O ATOM 606 OD2 ASP A 40 75.014 -5.317 -9.085 1.00 0.00 O ATOM 0 H ASP A 40 71.125 -4.513 -8.873 1.00 0.00 H new ATOM 0 HA ASP A 40 73.110 -3.736 -7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 40 72.834 -3.323 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.299 -2.942 -9.143 1.00 0.00 H new ATOM 611 N TYR A 41 71.471 -1.239 -8.401 1.00 0.00 N ATOM 612 CA TYR A 41 71.231 0.223 -8.268 1.00 0.00 C ATOM 613 C TYR A 41 70.742 0.536 -6.851 1.00 0.00 C ATOM 614 O TYR A 41 71.303 1.364 -6.161 1.00 0.00 O ATOM 615 CB TYR A 41 70.170 0.652 -9.282 1.00 0.00 C ATOM 616 CG TYR A 41 69.995 2.151 -9.231 1.00 0.00 C ATOM 617 CD1 TYR A 41 71.055 2.993 -9.587 1.00 0.00 C ATOM 618 CD2 TYR A 41 68.771 2.698 -8.829 1.00 0.00 C ATOM 619 CE1 TYR A 41 70.891 4.383 -9.541 1.00 0.00 C ATOM 620 CE2 TYR A 41 68.607 4.088 -8.784 1.00 0.00 C ATOM 621 CZ TYR A 41 69.667 4.929 -9.140 1.00 0.00 C ATOM 622 OH TYR A 41 69.505 6.299 -9.095 1.00 0.00 O ATOM 0 H TYR A 41 70.869 -1.718 -9.071 1.00 0.00 H new ATOM 0 HA TYR A 41 72.158 0.765 -8.456 1.00 0.00 H new ATOM 0 HB2 TYR A 41 70.466 0.345 -10.285 1.00 0.00 H new ATOM 0 HB3 TYR A 41 69.223 0.158 -9.064 1.00 0.00 H new ATOM 0 HD1 TYR A 41 71.999 2.571 -9.897 1.00 0.00 H new ATOM 0 HD2 TYR A 41 67.953 2.048 -8.554 1.00 0.00 H new ATOM 0 HE1 TYR A 41 71.709 5.033 -9.815 1.00 0.00 H new ATOM 0 HE2 TYR A 41 67.663 4.511 -8.475 1.00 0.00 H new ATOM 0 HH TYR A 41 68.596 6.511 -8.797 1.00 0.00 H new ATOM 632 N LEU A 42 69.700 -0.118 -6.412 1.00 0.00 N ATOM 633 CA LEU A 42 69.177 0.146 -5.041 1.00 0.00 C ATOM 634 C LEU A 42 70.333 0.139 -4.041 1.00 0.00 C ATOM 635 O LEU A 42 70.687 1.156 -3.477 1.00 0.00 O ATOM 636 CB LEU A 42 68.168 -0.941 -4.659 1.00 0.00 C ATOM 637 CG LEU A 42 66.778 -0.554 -5.166 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.837 -1.755 -5.044 1.00 0.00 C ATOM 639 CD2 LEU A 42 66.233 0.605 -4.328 1.00 0.00 C ATOM 0 H LEU A 42 69.189 -0.823 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 42 68.687 1.120 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.469 -1.897 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.149 -1.069 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 42 66.846 -0.249 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.846 -1.479 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.223 -2.582 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.770 -2.060 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 42 65.242 0.881 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 42 66.166 0.299 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.902 1.462 -4.413 1.00 0.00 H new ATOM 651 N ALA A 43 70.920 -1.000 -3.814 1.00 0.00 N ATOM 652 CA ALA A 43 72.051 -1.080 -2.848 1.00 0.00 C ATOM 653 C ALA A 43 72.999 0.103 -3.063 1.00 0.00 C ATOM 654 O ALA A 43 73.522 0.668 -2.122 1.00 0.00 O ATOM 655 CB ALA A 43 72.814 -2.388 -3.063 1.00 0.00 C ATOM 0 H ALA A 43 70.665 -1.883 -4.257 1.00 0.00 H new ATOM 0 HA ALA A 43 71.659 -1.048 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.642 -2.447 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.142 -3.231 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.203 -2.419 -4.081 1.00 0.00 H new ATOM 661 N GLY A 44 73.229 0.481 -4.290 1.00 0.00 N ATOM 662 CA GLY A 44 74.147 1.626 -4.555 1.00 0.00 C ATOM 663 C GLY A 44 73.627 2.876 -3.841 1.00 0.00 C ATOM 664 O GLY A 44 74.363 3.567 -3.166 1.00 0.00 O ATOM 0 H GLY A 44 72.822 0.048 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 44 75.152 1.388 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 44 74.216 1.809 -5.627 1.00 0.00 H new ATOM 668 N LYS A 45 72.365 3.173 -3.986 1.00 0.00 N ATOM 669 CA LYS A 45 71.801 4.379 -3.317 1.00 0.00 C ATOM 670 C LYS A 45 71.408 4.036 -1.878 1.00 0.00 C ATOM 671 O LYS A 45 70.936 4.876 -1.138 1.00 0.00 O ATOM 672 CB LYS A 45 70.563 4.854 -4.081 1.00 0.00 C ATOM 673 CG LYS A 45 70.995 5.546 -5.373 1.00 0.00 C ATOM 674 CD LYS A 45 70.391 6.949 -5.430 1.00 0.00 C ATOM 675 CE LYS A 45 71.136 7.783 -6.472 1.00 0.00 C ATOM 676 NZ LYS A 45 71.751 8.970 -5.813 1.00 0.00 N ATOM 0 H LYS A 45 71.700 2.633 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 45 72.552 5.169 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 45 69.916 4.007 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.984 5.541 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 45 72.082 5.605 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.670 4.964 -6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 45 69.333 6.891 -5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 45 70.458 7.425 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.907 7.180 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 45 70.449 8.104 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 72.258 9.537 -6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 71.006 9.549 -5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 72.419 8.654 -5.081 1.00 0.00 H new ATOM 690 N ILE A 46 71.593 2.809 -1.476 1.00 0.00 N ATOM 691 CA ILE A 46 71.226 2.419 -0.086 1.00 0.00 C ATOM 692 C ILE A 46 72.389 2.728 0.859 1.00 0.00 C ATOM 693 O ILE A 46 72.198 3.203 1.961 1.00 0.00 O ATOM 694 CB ILE A 46 70.914 0.921 -0.045 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.566 0.662 -0.723 1.00 0.00 C ATOM 696 CG2 ILE A 46 70.850 0.447 1.408 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.385 -0.841 -0.943 1.00 0.00 C ATOM 0 H ILE A 46 71.982 2.060 -2.049 1.00 0.00 H new ATOM 0 HA ILE A 46 70.348 2.982 0.230 1.00 0.00 H new ATOM 0 HB ILE A 46 71.699 0.375 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.756 1.050 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.520 1.188 -1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.628 -0.620 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 46 71.809 0.629 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 46 70.068 0.993 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.425 -1.025 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.188 -1.215 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.413 -1.355 0.018 1.00 0.00 H new ATOM 709 N LYS A 47 73.595 2.459 0.440 1.00 0.00 N ATOM 710 CA LYS A 47 74.768 2.733 1.318 1.00 0.00 C ATOM 711 C LYS A 47 75.023 4.241 1.385 1.00 0.00 C ATOM 712 O LYS A 47 75.627 4.733 2.317 1.00 0.00 O ATOM 713 CB LYS A 47 76.005 2.034 0.752 1.00 0.00 C ATOM 714 CG LYS A 47 77.083 1.947 1.836 1.00 0.00 C ATOM 715 CD LYS A 47 78.292 2.788 1.424 1.00 0.00 C ATOM 716 CE LYS A 47 79.457 1.868 1.055 1.00 0.00 C ATOM 717 NZ LYS A 47 80.603 2.127 1.970 1.00 0.00 N ATOM 0 H LYS A 47 73.819 2.061 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 47 74.562 2.356 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.744 1.035 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.384 2.584 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.687 2.303 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 47 77.382 0.909 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 47 78.034 3.422 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.582 3.449 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 47 79.148 0.825 1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 47 79.757 2.040 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 81.395 1.502 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 80.902 3.119 1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.313 1.942 2.951 1.00 0.00 H new ATOM 731 N LYS A 48 74.576 4.977 0.406 1.00 0.00 N ATOM 732 CA LYS A 48 74.805 6.449 0.424 1.00 0.00 C ATOM 733 C LYS A 48 73.494 7.175 0.736 1.00 0.00 C ATOM 734 O LYS A 48 73.423 7.986 1.637 1.00 0.00 O ATOM 735 CB LYS A 48 75.325 6.901 -0.941 1.00 0.00 C ATOM 736 CG LYS A 48 76.855 6.869 -0.938 1.00 0.00 C ATOM 737 CD LYS A 48 77.345 5.718 -1.817 1.00 0.00 C ATOM 738 CE LYS A 48 78.571 6.171 -2.613 1.00 0.00 C ATOM 739 NZ LYS A 48 78.969 5.098 -3.566 1.00 0.00 N ATOM 0 H LYS A 48 74.064 4.625 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 48 75.540 6.688 1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 48 74.938 6.249 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.972 7.908 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.249 7.816 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 48 77.224 6.745 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 48 77.597 4.856 -1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.553 5.402 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 48 78.346 7.089 -3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 48 79.395 6.395 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 79.802 5.406 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 79.200 4.232 -3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 78.183 4.905 -4.220 1.00 0.00 H new ATOM 753 N GLY A 49 72.457 6.893 -0.004 1.00 0.00 N ATOM 754 CA GLY A 49 71.154 7.571 0.249 1.00 0.00 C ATOM 755 C GLY A 49 70.983 8.724 -0.742 1.00 0.00 C ATOM 756 O GLY A 49 70.976 8.528 -1.941 1.00 0.00 O ATOM 0 H GLY A 49 72.456 6.223 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.334 6.860 0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 49 71.119 7.947 1.272 1.00 0.00 H new ATOM 760 N GLY A 50 70.848 9.927 -0.252 1.00 0.00 N ATOM 761 CA GLY A 50 70.683 11.088 -1.172 1.00 0.00 C ATOM 762 C GLY A 50 69.200 11.443 -1.288 1.00 0.00 C ATOM 763 O GLY A 50 68.444 11.300 -0.349 1.00 0.00 O ATOM 0 H GLY A 50 70.845 10.155 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 50 71.244 11.944 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 50 71.088 10.847 -2.155 1.00 0.00 H new ATOM 767 N SER A 51 68.778 11.904 -2.432 1.00 0.00 N ATOM 768 CA SER A 51 67.343 12.265 -2.602 1.00 0.00 C ATOM 769 C SER A 51 67.128 12.868 -3.991 1.00 0.00 C ATOM 770 O SER A 51 68.051 13.336 -4.626 1.00 0.00 O ATOM 771 CB SER A 51 66.948 13.286 -1.535 1.00 0.00 C ATOM 772 OG SER A 51 65.759 13.950 -1.940 1.00 0.00 O ATOM 0 H SER A 51 69.363 12.046 -3.255 1.00 0.00 H new ATOM 0 HA SER A 51 66.728 11.371 -2.497 1.00 0.00 H new ATOM 0 HB2 SER A 51 66.792 12.788 -0.578 1.00 0.00 H new ATOM 0 HB3 SER A 51 67.751 14.009 -1.391 1.00 0.00 H new ATOM 0 HG SER A 51 65.016 13.669 -1.366 1.00 0.00 H new ATOM 778 N GLY A 52 65.913 12.863 -4.465 1.00 0.00 N ATOM 779 CA GLY A 52 65.636 13.437 -5.812 1.00 0.00 C ATOM 780 C GLY A 52 64.667 12.524 -6.564 1.00 0.00 C ATOM 781 O GLY A 52 64.120 12.889 -7.585 1.00 0.00 O ATOM 0 H GLY A 52 65.100 12.486 -3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.210 14.435 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.565 13.541 -6.373 1.00 0.00 H new ATOM 785 N VAL A 53 64.451 11.336 -6.067 1.00 0.00 N ATOM 786 CA VAL A 53 63.517 10.398 -6.753 1.00 0.00 C ATOM 787 C VAL A 53 62.171 10.391 -6.023 1.00 0.00 C ATOM 788 O VAL A 53 61.132 10.193 -6.620 1.00 0.00 O ATOM 789 CB VAL A 53 64.111 8.988 -6.741 1.00 0.00 C ATOM 790 CG1 VAL A 53 63.281 8.076 -7.644 1.00 0.00 C ATOM 791 CG2 VAL A 53 65.553 9.037 -7.255 1.00 0.00 C ATOM 0 H VAL A 53 64.881 10.975 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 53 63.369 10.722 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 53 64.100 8.599 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 53 63.705 7.072 -7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 53 62.254 8.040 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 53 63.291 8.465 -8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 53 65.977 8.033 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 53 65.563 9.427 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 53 66.147 9.687 -6.612 1.00 0.00 H new ATOM 801 N TRP A 54 62.182 10.604 -4.735 1.00 0.00 N ATOM 802 CA TRP A 54 60.902 10.609 -3.970 1.00 0.00 C ATOM 803 C TRP A 54 60.576 12.039 -3.531 1.00 0.00 C ATOM 804 O TRP A 54 59.487 12.324 -3.075 1.00 0.00 O ATOM 805 CB TRP A 54 61.041 9.716 -2.736 1.00 0.00 C ATOM 806 CG TRP A 54 61.218 8.295 -3.166 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.407 7.661 -3.281 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.197 7.324 -3.538 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.182 6.362 -3.701 1.00 0.00 N ATOM 810 CE2 TRP A 54 60.835 6.106 -3.874 1.00 0.00 C ATOM 811 CE3 TRP A 54 58.795 7.381 -3.619 1.00 0.00 C ATOM 812 CZ2 TRP A 54 60.108 4.985 -4.273 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.059 6.254 -4.020 1.00 0.00 C ATOM 814 CH2 TRP A 54 58.714 5.059 -4.347 1.00 0.00 C ATOM 0 H TRP A 54 63.021 10.775 -4.180 1.00 0.00 H new ATOM 0 HA TRP A 54 60.099 10.231 -4.603 1.00 0.00 H new ATOM 0 HB2 TRP A 54 61.894 10.035 -2.137 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.157 9.809 -2.105 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.374 8.097 -3.078 1.00 0.00 H new ATOM 0 HE1 TRP A 54 62.920 5.677 -3.863 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.280 8.298 -3.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 60.618 4.066 -4.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 56.982 6.309 -4.077 1.00 0.00 H new ATOM 0 HH2 TRP A 54 58.142 4.196 -4.656 1.00 0.00 H new ATOM 825 N GLY A 55 61.511 12.939 -3.666 1.00 0.00 N ATOM 826 CA GLY A 55 61.249 14.348 -3.257 1.00 0.00 C ATOM 827 C GLY A 55 62.554 14.998 -2.791 1.00 0.00 C ATOM 828 O GLY A 55 63.615 14.726 -3.313 1.00 0.00 O ATOM 0 H GLY A 55 62.443 12.760 -4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.830 14.908 -4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.511 14.373 -2.455 1.00 0.00 H new ATOM 832 N SER A 56 62.481 15.857 -1.811 1.00 0.00 N ATOM 833 CA SER A 56 63.717 16.525 -1.313 1.00 0.00 C ATOM 834 C SER A 56 64.165 15.869 -0.006 1.00 0.00 C ATOM 835 O SER A 56 65.272 16.069 0.452 1.00 0.00 O ATOM 836 CB SER A 56 63.431 18.006 -1.065 1.00 0.00 C ATOM 837 OG SER A 56 62.096 18.154 -0.599 1.00 0.00 O ATOM 0 H SER A 56 61.620 16.125 -1.334 1.00 0.00 H new ATOM 0 HA SER A 56 64.506 16.425 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 56 64.131 18.406 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 56 63.573 18.575 -1.984 1.00 0.00 H new ATOM 0 HG SER A 56 61.909 19.102 -0.437 1.00 0.00 H new ATOM 843 N VAL A 57 63.316 15.084 0.599 1.00 0.00 N ATOM 844 CA VAL A 57 63.700 14.417 1.874 1.00 0.00 C ATOM 845 C VAL A 57 65.101 13.808 1.724 1.00 0.00 C ATOM 846 O VAL A 57 65.267 12.811 1.051 1.00 0.00 O ATOM 847 CB VAL A 57 62.694 13.308 2.192 1.00 0.00 C ATOM 848 CG1 VAL A 57 63.065 12.652 3.522 1.00 0.00 C ATOM 849 CG2 VAL A 57 61.288 13.906 2.299 1.00 0.00 C ATOM 0 H VAL A 57 62.375 14.876 0.266 1.00 0.00 H new ATOM 0 HA VAL A 57 63.703 15.147 2.683 1.00 0.00 H new ATOM 0 HB VAL A 57 62.714 12.563 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.350 11.862 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 57 64.066 12.226 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.045 13.400 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 57 60.573 13.115 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.269 14.651 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.020 14.378 1.353 1.00 0.00 H new ATOM 859 N PRO A 58 66.071 14.430 2.351 1.00 0.00 N ATOM 860 CA PRO A 58 67.473 13.973 2.296 1.00 0.00 C ATOM 861 C PRO A 58 67.687 12.761 3.210 1.00 0.00 C ATOM 862 O PRO A 58 67.655 12.869 4.420 1.00 0.00 O ATOM 863 CB PRO A 58 68.266 15.182 2.797 1.00 0.00 C ATOM 864 CG PRO A 58 67.281 16.037 3.629 1.00 0.00 C ATOM 865 CD PRO A 58 65.864 15.643 3.171 1.00 0.00 C ATOM 0 HA PRO A 58 67.776 13.652 1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.114 14.865 3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 58 68.668 15.756 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 58 67.410 15.850 4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 58 67.459 17.100 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 58 65.212 15.442 4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 58 65.397 16.440 2.592 1.00 0.00 H new ATOM 873 N MET A 59 67.914 11.610 2.636 1.00 0.00 N ATOM 874 CA MET A 59 68.140 10.392 3.463 1.00 0.00 C ATOM 875 C MET A 59 69.632 10.290 3.806 1.00 0.00 C ATOM 876 O MET A 59 70.475 10.557 2.970 1.00 0.00 O ATOM 877 CB MET A 59 67.705 9.153 2.674 1.00 0.00 C ATOM 878 CG MET A 59 68.101 7.883 3.434 1.00 0.00 C ATOM 879 SD MET A 59 68.377 6.539 2.252 1.00 0.00 S ATOM 880 CE MET A 59 69.630 5.643 3.204 1.00 0.00 C ATOM 0 H MET A 59 67.953 11.462 1.628 1.00 0.00 H new ATOM 0 HA MET A 59 67.557 10.454 4.382 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.627 9.172 2.517 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.171 9.157 1.688 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.005 8.061 4.017 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.316 7.608 4.139 1.00 0.00 H new ATOM 0 HE1 MET A 59 69.545 4.575 3.002 1.00 0.00 H new ATOM 0 HE2 MET A 59 70.623 5.989 2.916 1.00 0.00 H new ATOM 0 HE3 MET A 59 69.477 5.825 4.268 1.00 0.00 H new ATOM 890 N PRO A 60 69.913 9.912 5.029 1.00 0.00 N ATOM 891 CA PRO A 60 71.295 9.775 5.517 1.00 0.00 C ATOM 892 C PRO A 60 71.913 8.462 5.023 1.00 0.00 C ATOM 893 O PRO A 60 71.207 7.520 4.720 1.00 0.00 O ATOM 894 CB PRO A 60 71.140 9.767 7.039 1.00 0.00 C ATOM 895 CG PRO A 60 69.683 9.328 7.327 1.00 0.00 C ATOM 896 CD PRO A 60 68.883 9.585 6.036 1.00 0.00 C ATOM 0 HA PRO A 60 71.953 10.569 5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 60 71.851 9.080 7.498 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.337 10.755 7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.643 8.275 7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.266 9.893 8.160 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.306 8.708 5.744 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.176 10.405 6.163 1.00 0.00 H new ATOM 904 N PRO A 61 73.219 8.445 4.956 1.00 0.00 N ATOM 905 CA PRO A 61 73.975 7.266 4.502 1.00 0.00 C ATOM 906 C PRO A 61 74.054 6.219 5.616 1.00 0.00 C ATOM 907 O PRO A 61 74.375 6.525 6.747 1.00 0.00 O ATOM 908 CB PRO A 61 75.363 7.830 4.186 1.00 0.00 C ATOM 909 CG PRO A 61 75.495 9.142 4.997 1.00 0.00 C ATOM 910 CD PRO A 61 74.062 9.600 5.326 1.00 0.00 C ATOM 0 HA PRO A 61 73.517 6.767 3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 61 76.143 7.121 4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.471 8.021 3.118 1.00 0.00 H new ATOM 0 HG2 PRO A 61 76.069 8.978 5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 61 76.023 9.902 4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 61 73.956 9.849 6.382 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.789 10.490 4.760 1.00 0.00 H new ATOM 918 N GLN A 62 73.767 4.985 5.305 1.00 0.00 N ATOM 919 CA GLN A 62 73.829 3.921 6.345 1.00 0.00 C ATOM 920 C GLN A 62 75.175 3.199 6.253 1.00 0.00 C ATOM 921 O GLN A 62 75.859 3.268 5.251 1.00 0.00 O ATOM 922 CB GLN A 62 72.695 2.918 6.119 1.00 0.00 C ATOM 923 CG GLN A 62 71.391 3.672 5.848 1.00 0.00 C ATOM 924 CD GLN A 62 70.958 4.414 7.114 1.00 0.00 C ATOM 925 OE1 GLN A 62 71.343 4.050 8.207 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.165 5.445 7.012 1.00 0.00 N ATOM 0 H GLN A 62 73.492 4.668 4.375 1.00 0.00 H new ATOM 0 HA GLN A 62 73.723 4.371 7.332 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.933 2.268 5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.582 2.278 6.994 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.530 4.378 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.613 2.974 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.842 5.751 6.094 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.868 5.945 7.850 1.00 0.00 H new ATOM 935 N ASN A 63 75.560 2.506 7.290 1.00 0.00 N ATOM 936 CA ASN A 63 76.862 1.781 7.259 1.00 0.00 C ATOM 937 C ASN A 63 76.615 0.310 6.918 1.00 0.00 C ATOM 938 O ASN A 63 76.940 -0.576 7.682 1.00 0.00 O ATOM 939 CB ASN A 63 77.537 1.882 8.628 1.00 0.00 C ATOM 940 CG ASN A 63 77.400 3.309 9.162 1.00 0.00 C ATOM 941 OD1 ASN A 63 76.304 3.814 9.306 1.00 0.00 O ATOM 942 ND2 ASN A 63 78.475 3.986 9.464 1.00 0.00 N ATOM 0 H ASN A 63 75.030 2.411 8.156 1.00 0.00 H new ATOM 0 HA ASN A 63 77.509 2.227 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 63 77.081 1.177 9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 63 78.590 1.613 8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 63 78.395 4.938 9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 63 79.395 3.563 9.343 1.00 0.00 H new ATOM 949 N VAL A 64 76.044 0.044 5.776 1.00 0.00 N ATOM 950 CA VAL A 64 75.777 -1.368 5.388 1.00 0.00 C ATOM 951 C VAL A 64 76.762 -1.792 4.298 1.00 0.00 C ATOM 952 O VAL A 64 77.225 -0.984 3.517 1.00 0.00 O ATOM 953 CB VAL A 64 74.349 -1.492 4.858 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.362 -1.423 6.026 1.00 0.00 C ATOM 955 CG2 VAL A 64 74.067 -0.343 3.886 1.00 0.00 C ATOM 0 H VAL A 64 75.751 0.744 5.095 1.00 0.00 H new ATOM 0 HA VAL A 64 75.898 -2.012 6.259 1.00 0.00 H new ATOM 0 HB VAL A 64 74.234 -2.445 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.344 -1.511 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.563 -2.238 6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.476 -0.470 6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.049 -0.429 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.182 0.609 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.770 -0.390 3.054 1.00 0.00 H new ATOM 965 N THR A 65 77.085 -3.054 4.236 1.00 0.00 N ATOM 966 CA THR A 65 78.036 -3.528 3.193 1.00 0.00 C ATOM 967 C THR A 65 77.259 -3.847 1.915 1.00 0.00 C ATOM 968 O THR A 65 76.049 -3.771 1.883 1.00 0.00 O ATOM 969 CB THR A 65 78.750 -4.788 3.689 1.00 0.00 C ATOM 970 OG1 THR A 65 78.045 -5.322 4.802 1.00 0.00 O ATOM 971 CG2 THR A 65 80.179 -4.436 4.108 1.00 0.00 C ATOM 0 H THR A 65 76.731 -3.777 4.862 1.00 0.00 H new ATOM 0 HA THR A 65 78.775 -2.753 2.988 1.00 0.00 H new ATOM 0 HB THR A 65 78.781 -5.528 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 65 78.500 -6.130 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 65 80.686 -5.334 4.461 1.00 0.00 H new ATOM 0 HG22 THR A 65 80.718 -4.027 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 65 80.152 -3.696 4.908 1.00 0.00 H new ATOM 979 N ASP A 66 77.941 -4.201 0.861 1.00 0.00 N ATOM 980 CA ASP A 66 77.230 -4.520 -0.406 1.00 0.00 C ATOM 981 C ASP A 66 76.427 -5.808 -0.227 1.00 0.00 C ATOM 982 O ASP A 66 75.488 -6.071 -0.951 1.00 0.00 O ATOM 983 CB ASP A 66 78.248 -4.700 -1.536 1.00 0.00 C ATOM 984 CG ASP A 66 78.511 -3.351 -2.206 1.00 0.00 C ATOM 985 OD1 ASP A 66 77.550 -2.654 -2.487 1.00 0.00 O ATOM 986 OD2 ASP A 66 79.669 -3.036 -2.425 1.00 0.00 O ATOM 0 H ASP A 66 78.957 -4.283 0.823 1.00 0.00 H new ATOM 0 HA ASP A 66 76.554 -3.703 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 66 79.178 -5.109 -1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 66 77.872 -5.414 -2.268 1.00 0.00 H new ATOM 991 N ALA A 67 76.786 -6.611 0.737 1.00 0.00 N ATOM 992 CA ALA A 67 76.038 -7.878 0.966 1.00 0.00 C ATOM 993 C ALA A 67 74.707 -7.560 1.646 1.00 0.00 C ATOM 994 O ALA A 67 73.649 -7.898 1.152 1.00 0.00 O ATOM 995 CB ALA A 67 76.866 -8.801 1.863 1.00 0.00 C ATOM 0 H ALA A 67 77.564 -6.444 1.375 1.00 0.00 H new ATOM 0 HA ALA A 67 75.851 -8.373 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.320 -9.729 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.817 -9.022 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 67 77.051 -8.310 2.818 1.00 0.00 H new ATOM 1001 N GLU A 68 74.746 -6.908 2.775 1.00 0.00 N ATOM 1002 CA GLU A 68 73.484 -6.567 3.482 1.00 0.00 C ATOM 1003 C GLU A 68 72.643 -5.643 2.601 1.00 0.00 C ATOM 1004 O GLU A 68 71.429 -5.660 2.641 1.00 0.00 O ATOM 1005 CB GLU A 68 73.811 -5.861 4.798 1.00 0.00 C ATOM 1006 CG GLU A 68 74.201 -6.898 5.851 1.00 0.00 C ATOM 1007 CD GLU A 68 73.114 -6.967 6.926 1.00 0.00 C ATOM 1008 OE1 GLU A 68 72.720 -5.918 7.409 1.00 0.00 O ATOM 1009 OE2 GLU A 68 72.694 -8.066 7.248 1.00 0.00 O ATOM 0 H GLU A 68 75.600 -6.597 3.238 1.00 0.00 H new ATOM 0 HA GLU A 68 72.925 -7.479 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 68 74.627 -5.153 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 68 72.949 -5.288 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 68 74.329 -7.875 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 68 75.157 -6.632 6.302 1.00 0.00 H new ATOM 1016 N ALA A 69 73.284 -4.837 1.799 1.00 0.00 N ATOM 1017 CA ALA A 69 72.528 -3.912 0.912 1.00 0.00 C ATOM 1018 C ALA A 69 71.853 -4.714 -0.199 1.00 0.00 C ATOM 1019 O ALA A 69 70.757 -4.406 -0.625 1.00 0.00 O ATOM 1020 CB ALA A 69 73.492 -2.896 0.296 1.00 0.00 C ATOM 0 H ALA A 69 74.299 -4.780 1.721 1.00 0.00 H new ATOM 0 HA ALA A 69 71.770 -3.387 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.939 -2.218 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.975 -2.325 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 69 74.250 -3.420 -0.287 1.00 0.00 H new ATOM 1026 N LYS A 70 72.500 -5.743 -0.675 1.00 0.00 N ATOM 1027 CA LYS A 70 71.898 -6.564 -1.757 1.00 0.00 C ATOM 1028 C LYS A 70 70.687 -7.320 -1.206 1.00 0.00 C ATOM 1029 O LYS A 70 69.753 -7.622 -1.921 1.00 0.00 O ATOM 1030 CB LYS A 70 72.944 -7.549 -2.299 1.00 0.00 C ATOM 1031 CG LYS A 70 73.027 -8.797 -1.412 1.00 0.00 C ATOM 1032 CD LYS A 70 72.337 -9.969 -2.114 1.00 0.00 C ATOM 1033 CE LYS A 70 72.836 -11.289 -1.519 1.00 0.00 C ATOM 1034 NZ LYS A 70 72.676 -12.380 -2.523 1.00 0.00 N ATOM 0 H LYS A 70 73.420 -6.049 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 70 71.571 -5.918 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 70 72.685 -7.838 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 70 73.919 -7.063 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 70 74.069 -9.043 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 70 72.552 -8.605 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 70 71.256 -9.891 -1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 70 72.545 -9.939 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 70 73.883 -11.197 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 70 72.276 -11.527 -0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 73.015 -13.276 -2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 71.672 -12.473 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 73.229 -12.153 -3.374 1.00 0.00 H new ATOM 1048 N GLN A 71 70.698 -7.624 0.061 1.00 0.00 N ATOM 1049 CA GLN A 71 69.552 -8.355 0.661 1.00 0.00 C ATOM 1050 C GLN A 71 68.422 -7.368 0.952 1.00 0.00 C ATOM 1051 O GLN A 71 67.266 -7.734 0.993 1.00 0.00 O ATOM 1052 CB GLN A 71 70.003 -9.056 1.956 1.00 0.00 C ATOM 1053 CG GLN A 71 69.854 -8.117 3.161 1.00 0.00 C ATOM 1054 CD GLN A 71 68.576 -8.473 3.927 1.00 0.00 C ATOM 1055 OE1 GLN A 71 68.561 -9.408 4.703 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.494 -7.764 3.741 1.00 0.00 N ATOM 0 H GLN A 71 71.454 -7.397 0.707 1.00 0.00 H new ATOM 0 HA GLN A 71 69.192 -9.112 -0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 71 69.409 -9.956 2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 71 71.042 -9.372 1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 71 70.721 -8.207 3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 71 69.814 -7.081 2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 71 67.504 -6.979 3.090 1.00 0.00 H new ATOM 0 HE22 GLN A 71 66.639 -7.996 4.247 1.00 0.00 H new ATOM 1065 N LEU A 72 68.747 -6.121 1.152 1.00 0.00 N ATOM 1066 CA LEU A 72 67.686 -5.115 1.436 1.00 0.00 C ATOM 1067 C LEU A 72 67.045 -4.685 0.117 1.00 0.00 C ATOM 1068 O LEU A 72 65.910 -4.254 0.078 1.00 0.00 O ATOM 1069 CB LEU A 72 68.301 -3.901 2.135 1.00 0.00 C ATOM 1070 CG LEU A 72 68.652 -4.267 3.578 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.919 -3.523 4.001 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.496 -3.871 4.500 1.00 0.00 C ATOM 0 H LEU A 72 69.699 -5.756 1.131 1.00 0.00 H new ATOM 0 HA LEU A 72 66.928 -5.551 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.195 -3.576 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.600 -3.066 2.120 1.00 0.00 H new ATOM 0 HG LEU A 72 68.822 -5.341 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 72 70.168 -3.784 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.743 -3.805 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.751 -2.448 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.745 -4.132 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.325 -2.797 4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.593 -4.402 4.200 1.00 0.00 H new ATOM 1084 N ALA A 73 67.758 -4.815 -0.967 1.00 0.00 N ATOM 1085 CA ALA A 73 67.182 -4.433 -2.283 1.00 0.00 C ATOM 1086 C ALA A 73 66.413 -5.629 -2.840 1.00 0.00 C ATOM 1087 O ALA A 73 65.336 -5.491 -3.386 1.00 0.00 O ATOM 1088 CB ALA A 73 68.305 -4.048 -3.247 1.00 0.00 C ATOM 0 H ALA A 73 68.714 -5.169 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 73 66.513 -3.580 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.878 -3.769 -4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.862 -3.205 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.977 -4.896 -3.380 1.00 0.00 H new ATOM 1094 N GLN A 74 66.953 -6.807 -2.687 1.00 0.00 N ATOM 1095 CA GLN A 74 66.251 -8.018 -3.186 1.00 0.00 C ATOM 1096 C GLN A 74 65.067 -8.301 -2.262 1.00 0.00 C ATOM 1097 O GLN A 74 64.034 -8.786 -2.682 1.00 0.00 O ATOM 1098 CB GLN A 74 67.214 -9.208 -3.173 1.00 0.00 C ATOM 1099 CG GLN A 74 67.440 -9.700 -4.604 1.00 0.00 C ATOM 1100 CD GLN A 74 67.210 -11.211 -4.665 1.00 0.00 C ATOM 1101 OE1 GLN A 74 67.239 -11.882 -3.653 1.00 0.00 O ATOM 1102 NE2 GLN A 74 66.981 -11.779 -5.817 1.00 0.00 N ATOM 0 H GLN A 74 67.852 -6.981 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 74 65.900 -7.859 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 74 68.163 -8.916 -2.724 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.806 -10.012 -2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.761 -9.190 -5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 74 68.454 -9.462 -4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 74 66.956 -11.216 -6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 74 66.826 -12.786 -5.867 1.00 0.00 H new ATOM 1111 N TRP A 75 65.211 -7.986 -1.004 1.00 0.00 N ATOM 1112 CA TRP A 75 64.101 -8.216 -0.039 1.00 0.00 C ATOM 1113 C TRP A 75 63.040 -7.128 -0.232 1.00 0.00 C ATOM 1114 O TRP A 75 61.862 -7.406 -0.328 1.00 0.00 O ATOM 1115 CB TRP A 75 64.658 -8.154 1.385 1.00 0.00 C ATOM 1116 CG TRP A 75 63.540 -8.044 2.370 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.494 -8.897 2.467 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.346 -7.037 3.403 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.669 -8.476 3.495 1.00 0.00 N ATOM 1120 CE2 TRP A 75 62.153 -7.333 4.103 1.00 0.00 C ATOM 1121 CE3 TRP A 75 64.086 -5.907 3.794 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.708 -6.534 5.157 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.641 -5.100 4.855 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.455 -5.414 5.535 1.00 0.00 C ATOM 0 H TRP A 75 66.055 -7.577 -0.602 1.00 0.00 H new ATOM 0 HA TRP A 75 63.650 -9.194 -0.208 1.00 0.00 H new ATOM 0 HB2 TRP A 75 65.249 -9.046 1.592 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.327 -7.299 1.485 1.00 0.00 H new ATOM 0 HD1 TRP A 75 62.330 -9.764 1.844 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.809 -8.951 3.770 1.00 0.00 H new ATOM 0 HE3 TRP A 75 65.001 -5.658 3.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.794 -6.779 5.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.215 -4.234 5.148 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.119 -4.791 6.350 1.00 0.00 H new ATOM 1135 N ILE A 76 63.453 -5.890 -0.295 1.00 0.00 N ATOM 1136 CA ILE A 76 62.469 -4.787 -0.490 1.00 0.00 C ATOM 1137 C ILE A 76 61.773 -4.959 -1.842 1.00 0.00 C ATOM 1138 O ILE A 76 60.663 -4.506 -2.041 1.00 0.00 O ATOM 1139 CB ILE A 76 63.202 -3.442 -0.460 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.620 -3.122 0.977 1.00 0.00 C ATOM 1141 CG2 ILE A 76 62.273 -2.339 -0.975 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.455 -1.839 0.992 1.00 0.00 C ATOM 0 H ILE A 76 64.427 -5.596 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 76 61.726 -4.815 0.307 1.00 0.00 H new ATOM 0 HB ILE A 76 64.086 -3.498 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.738 -3.002 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 76 64.197 -3.949 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.796 -1.383 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.973 -2.565 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.388 -2.283 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.753 -1.611 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.345 -1.977 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 76 63.863 -1.015 0.594 1.00 0.00 H new ATOM 1154 N LEU A 77 62.416 -5.610 -2.773 1.00 0.00 N ATOM 1155 CA LEU A 77 61.792 -5.809 -4.112 1.00 0.00 C ATOM 1156 C LEU A 77 60.756 -6.933 -4.040 1.00 0.00 C ATOM 1157 O LEU A 77 59.629 -6.779 -4.463 1.00 0.00 O ATOM 1158 CB LEU A 77 62.875 -6.186 -5.126 1.00 0.00 C ATOM 1159 CG LEU A 77 63.573 -4.921 -5.629 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.728 -5.307 -6.554 1.00 0.00 C ATOM 1161 CD2 LEU A 77 62.569 -4.059 -6.401 1.00 0.00 C ATOM 0 H LEU A 77 63.347 -6.013 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 77 61.302 -4.885 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.602 -6.855 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.431 -6.725 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 77 63.961 -4.359 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 77 65.225 -4.405 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 77 65.443 -5.922 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 77 64.341 -5.870 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 77 63.064 -3.157 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 77 62.182 -4.623 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 77 61.745 -3.783 -5.743 1.00 0.00 H new ATOM 1173 N SER A 78 61.132 -8.066 -3.511 1.00 0.00 N ATOM 1174 CA SER A 78 60.168 -9.200 -3.418 1.00 0.00 C ATOM 1175 C SER A 78 58.957 -8.780 -2.583 1.00 0.00 C ATOM 1176 O SER A 78 57.896 -9.365 -2.676 1.00 0.00 O ATOM 1177 CB SER A 78 60.852 -10.398 -2.757 1.00 0.00 C ATOM 1178 OG SER A 78 61.589 -11.117 -3.737 1.00 0.00 O ATOM 0 H SER A 78 62.063 -8.255 -3.140 1.00 0.00 H new ATOM 0 HA SER A 78 59.838 -9.475 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.516 -10.059 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.108 -11.047 -2.296 1.00 0.00 H new ATOM 0 HG SER A 78 62.030 -11.885 -3.317 1.00 0.00 H new ATOM 1184 N ILE A 79 59.102 -7.771 -1.768 1.00 0.00 N ATOM 1185 CA ILE A 79 57.953 -7.322 -0.934 1.00 0.00 C ATOM 1186 C ILE A 79 56.871 -6.729 -1.841 1.00 0.00 C ATOM 1187 O ILE A 79 57.159 -6.029 -2.792 1.00 0.00 O ATOM 1188 CB ILE A 79 58.431 -6.266 0.071 1.00 0.00 C ATOM 1189 CG1 ILE A 79 59.117 -6.965 1.247 1.00 0.00 C ATOM 1190 CG2 ILE A 79 57.235 -5.459 0.590 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.498 -5.931 2.310 1.00 0.00 C ATOM 0 H ILE A 79 59.964 -7.240 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 79 57.540 -8.171 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 79 59.132 -5.592 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 79 58.451 -7.714 1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 79 60.007 -7.491 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.582 -4.711 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.741 -4.962 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.530 -6.129 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 79 59.986 -6.432 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 79 60.180 -5.199 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.600 -5.425 2.664 1.00 0.00 H new ATOM 1203 N LYS A 80 55.629 -7.003 -1.551 1.00 0.00 N ATOM 1204 CA LYS A 80 54.529 -6.456 -2.392 1.00 0.00 C ATOM 1205 C LYS A 80 54.287 -4.990 -2.023 1.00 0.00 C ATOM 1206 O LYS A 80 54.701 -4.132 -2.786 1.00 0.00 O ATOM 1207 CB LYS A 80 53.253 -7.263 -2.148 1.00 0.00 C ATOM 1208 CG LYS A 80 52.159 -6.792 -3.109 1.00 0.00 C ATOM 1209 CD LYS A 80 51.282 -7.981 -3.504 1.00 0.00 C ATOM 1210 CE LYS A 80 50.820 -7.817 -4.953 1.00 0.00 C ATOM 1211 NZ LYS A 80 49.937 -8.959 -5.321 1.00 0.00 N ATOM 1212 OXT LYS A 80 53.693 -4.751 -0.984 1.00 0.00 O ATOM 0 H LYS A 80 55.329 -7.583 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 80 54.805 -6.524 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 80 53.448 -8.325 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 80 52.924 -7.139 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 80 51.552 -6.020 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 80 52.607 -6.346 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 80 51.840 -8.911 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 80 50.419 -8.046 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 80 50.284 -6.875 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 80 51.682 -7.779 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 49.621 -8.850 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 50.463 -9.851 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 49.109 -8.975 -4.692 1.00 0.00 H new